Spektraris NMR
Sodwanone B
Common Name: Sodwanone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-17-9-12-23-29(7,15-14-22(32)28(5,6)35-23)19(17)10-11-20-18(2)24(33)25(34)26-27(3,4)21(31)13-16-30(20,26)8/h17,19,23,34H,9-16H2,1-8H3/t17-,19-,23+,29+,30-/m1/s1
InChIKey: InChIKey=VTXYSDPCTJDOCW-PGNQREQFSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1994) 57, 1416-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 82.4 |
| 3 (C) | 218 |
| 4 (CH2) | 35.1 |
| 5 (CH2) | 40.5 |
| 6 (C) | 41.5 |
| 7 (CH) | 81.9 |
| 8 (CH2) | 25.5 |
| 9 (CH2) | 29.9 |
| 10 (CH) | 28.2 |
| 11 (CH) | 51.3 |
| 12 (CH2) | 28.4 |
| 13 (CH2) | 31.1 |
| 14 (C) | 164.5 |
| 15 (C) | 129.1 |
| 16 (C) | 181.5 |
| 17 (C) | 141.9 |
| 18 (C) | 137.2 |
| 19 (C) | 42.7 |
| 20 (CH2) | 25.8 |
| 21 (CH2) | 32.5 |
| 22 (C) | 215 |
| 23 (C) | 48 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 13.4 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 11.9 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 20.8 |
| 31 (CH3) | 24.4 |
